Mg15Al
传统材料 TRAMP-ID: mp-1023506 · Space group: P-6m2 (#187)
Basic Information
Formula
Mg15Al
MP-ID
mp-1023506
Elements
2
Sites
16
Density
1.8496
g/cm³
Volume
351.54
ų
Cell a
6.3130
Å
Cell b
6.3130
Å
Cell c
10.1853
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 18)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 32.76 | 2.7336 | 12.0 | (2,-2,0,0) |
| 32.76 | 2.7336 | 24.1 | (2,0,-2,0) |
| 35.25 | 2.5463 | 39.2 | (0,0,0,4) |
| 37.33 | 2.4086 | 50.0 | (2,-2,0,2) |
| 37.33 | 2.4086 | 100.0 | (2,0,-2,2) |
| 48.88 | 1.8632 | 22.4 | (2,0,-2,4) |
| 58.48 | 1.5783 | 17.1 | (4,-2,-2,0) |
| 58.48 | 1.5783 | 8.5 | (2,2,-4,0) |
| 64.63 | 1.4421 | 27.7 | (2,0,-2,6) |
| 68.67 | 1.3668 | 1.3 | (4,-4,0,0) |
| 68.67 | 1.3668 | 2.6 | (4,0,-4,0) |
| 70.15 | 1.3415 | 28.5 | (4,-2,-2,4) |
| 71.46 | 1.3201 | 6.7 | (4,-4,0,2) |
| 71.46 | 1.3201 | 13.5 | (4,0,-4,2) |
| 74.53 | 1.2732 | 3.9 | (0,0,0,8) |
| 79.61 | 1.2043 | 1.6 | (4,-4,0,4) |
| 79.61 | 1.2043 | 3.2 | (4,0,-4,4) |
| 83.82 | 1.1541 | 4.1 | (2,0,-2,8) |
Energy Properties
Formation Energy/atom
0.03976
eV/atom
Energy/atom
-1.72291
eV/atom
Energy above Hull
0.0412
eV/atom
Uncorrected Energy
-4.3154
eV/atom
Volume/atom
21.97
ų
c/a Ratio
1.6134
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.938
Element Family
N/A
Solute Fraction
0.063
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.858
Family
Mg-based Alloy
Matrix Element
Mg · 0.938
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1023506
Reference Citation
The crystal structure and related material properties of Mg15Al were obtained from the Materials Project database (MP-ID: mp-1023506, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Mg15Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.31300491
_cell_length_b 6.31300491
_cell_length_c 10.18533207
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000768
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg15Al
_chemical_formula_sum 'Mg15 Al1'
_cell_volume 351.54266880
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg Mg0 1 0.00000000 0.00000000 0.00000000 1.0
Mg Mg1 1 0.99850110 0.49925105 0.50000000 1.0
Mg Mg2 1 0.00066592 0.50033246 0.00000000 1.0
Mg Mg3 1 0.50074895 0.49925105 0.50000000 1.0
Mg Mg4 1 0.49966754 0.50033246 -0.00000000 1.0
Mg Mg5 1 0.50074895 0.00149890 0.50000000 1.0
Mg Mg6 1 0.49966754 0.99933408 0.00000000 1.0
Mg Mg7 1 0.16549602 0.33099404 0.25324490 1.0
Mg Mg8 1 0.16549602 0.33099404 0.74675510 1.0
Mg Mg9 1 0.16549602 0.83450398 0.25324490 1.0
Mg Mg10 1 0.16549602 0.83450398 0.74675510 1.0
Mg Mg11 1 0.66900596 0.83450398 0.25324490 1.0
Mg Mg12 1 0.66900596 0.83450398 0.74675510 1.0
Mg Mg13 1 0.66666700 0.33333300 0.24983104 1.0
Mg Mg14 1 0.66666700 0.33333300 0.75016896 1.0
Al Al15 1 0.00000000 0.00000000 0.50000000 1.0
